2-[[3-azanyl-2-methoxy-5-oxidanyl-5-(sulfooxymethyl)cyclohex-2-en-1-ylidene]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[3-azanyl-2-methoxy-5-oxidanyl-5-(sulfooxymethyl)cyclohex-2-en-1-ylidene]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[3-amino-5-hydroxy-2-methoxy-5-(sulfooxymethyl)cyclohex-2-en-1-ylidene]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[3-amino-5-hydroxy-2-methoxy-5-(sulfooxymethyl)-1-cyclohex-2-enylidene]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[3-amino-5-hydroxy-2-methoxy-5-(sulfooxymethyl)cyclohex-2-en-1-ylidene]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[3-amino-5-hydroxy-2-methoxy-5-(sulfoxymethyl)cyclohex-2-en-1-ylidene]amino]-3-hydroxy-propionic acid Formula: C11H18N2O9S MolecularWeight: 354.33362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(CC(CC1=NC(CO)C(=O)O)(COS(=O)(=O)O)O)N

Isomeric SMILES

COC1=C(CC(CC1=NC(CO)C(=O)O)(COS(=O)(=O)O)O)N

InChI

InChI=1S/C11H18N2O9S/c1-21-9-6(12)2-11(17,5-22-23(18,19)20)3-7(9)13-8(4-14)10(15)16/h8,14,17H,2-5,12H2,1H3,(H,15,16)(H,18,19,20)